N-(3,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-2852 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C21 H26 N6 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2682 |
| logD: | 2.2682 |
| logSw: | -3.0569 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.546 |
| InChI Key: | HCPYGWVXZXWDIL-UHFFFAOYSA-N |